Title of article :
Crystal structure of (S)-sec-butylammonium L-tartrate monohydrate
Author/Authors :
Publicover, Ernlie A. Department of Chemistry - Saint Mary's University, Canada , Kolwich, Jennifer Department of Chemistry - Saint Mary's University, Canada , Doué, Alyssa J. Department of Chemistry - Saint Mary's University, Canada , Stack, Darcie L. Department of Chemistry - Saint Mary's University, Canada , Ylijoki, Kai E. O. Department of Chemistry - Saint Mary's University, Canada
Abstract :
The title hydrated molecular salt, C4H12N+·C4H5O6−·H2O, was prepared by deprotonation of enantiopure L-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with L-tartaric acid. The sec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH2 bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H⋯O and N—H⋯O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure.
Keywords :
crystal structure , sec-butylamine , hydrogen bonding , monohydrate , chiral resolution , L-tartaric acid
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
